N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide

C11H21N3O2 — CID 77144242

IUPACN-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)C(N)C(C)C)C1
InChIInChI=1S/C11H21N3O2/c1-7(2)10(12)11(16)14-5-4-9(6-14)13-8(3)15/h7,9-10H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyJBZXWRRMJBREKC-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.29
Rot. Bonds3

About N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide

N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide (PubChem CID 77144242) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide
PubChem CID77144242
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)C(N)C(C)C)C1
InChIInChI=1S/C11H21N3O2/c1-7(2)10(12)11(16)14-5-4-9(6-14)13-8(3)15/h7,9-10H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyJBZXWRRMJBREKC-UHFFFAOYSA-N
XLogP-0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]acetamide
CID 66567654
N-[1-(2-amino-3-methylbutanoyl)piperidin-3-yl]acetamide
CID 54872010
N-[1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-3-yl]acetamide
CID 113402254
N-[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]acetamide
CID 66567589
(2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 79013338
N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269
N-[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-4-yl]acetamide
CID 113314985
(2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide
CID 61178983
N-[[(3R)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]acetamide
CID 96554614
3-acetamidopyrrolidine-1-carboxylic acid
CID 22061271
N-[1-(2-amino-5-methoxypentanoyl)pyrrolidin-3-yl]acetamide
CID 113402267
propan-2-yl 3-acetamidopyrrolidine-1-carboxylate
CID 77434024

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide (CID 77144242) is N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(C(=O)C(N)C(C)C)C1.
What is the InChIKey of N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide?
The InChIKey is JBZXWRRMJBREKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-7(2)10(12)11(16)14-5-4-9(6-14)13-8(3)15/h7,9-10H,4-6,12H2,1-3H3,(H,13,15).
What are the key properties of N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide?
N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide has a molecular weight of 227.31 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 77144242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).